| Reaction mechanism of CO activation and methane formation on Co Fischer–Tropsch catalyst: A combined DFT, transient, and steady-state kinetic modeling J Yang, Y Qi, J Zhu, YA Zhu, D Chen, A Holmen Journal of catalysis 308, 37-49, 2013 | 143 | 2013 |
| Insights into Hägg Iron-Carbide-Catalyzed Fischer–Tropsch Synthesis: Suppression of CH4 Formation and Enhancement of C–C Coupling on χ-Fe5C2 (510) TH Pham, Y Qi, J Yang, X Duan, G Qian, X Zhou, D Chen, W Yuan ACS Catalysis 5 (4), 2203-2208, 2015 | 129 | 2015 |
| New mechanism insights into methane steam reforming on Pt/Ni from DFT and experimental kinetic study J Niu, Y Wang, Y Qi, AH Dam, H Wang, YA Zhu, A Holmen, J Ran, D Chen Fuel 266, 117143, 2020 | 96 | 2020 |
| Recent progresses in understanding of co-based Fischer–Tropsch catalysis by means of transient kinetic studies and theoretical analysis Y Qi, J Yang, D Chen, A Holmen Catalysis Letters 145, 145-161, 2015 | 78 | 2015 |
| Discrimination of the mechanism of CH 4 formation in Fischer–Tropsch synthesis on Co catalysts: a combined approach of DFT, kinetic isotope effects and kinetic analysis Y Qi, J Yang, X Duan, YA Zhu, D Chen, A Holmen Catalysis Science & Technology 4 (10), 3534-3543, 2014 | 59 | 2014 |
| Hydrogen dependence of the reaction mechanism and kinetics of water gas shift reaction on Ni catalyst: Experimental and DFT study T Noor, Y Qi, D Chen Applied Catalysis B: Environmental 264, 118430, 2020 | 38 | 2020 |
| Understanding effects of Ni particle size on steam methane reforming activity by combined experimental and theoretical analysis Y Wang, H Wang, AH Dam, L Xiao, Y Qi, J Niu, J Yang, YA Zhu, A Holmen, ... Catalysis Today 355, 139-147, 2020 | 37 | 2020 |
| Towards rational catalyst design: boosting the rapid prediction of transition-metal activity by improved scaling relations Y Wang, L Xiao, Y Qi, M Mahmoodinia, X Feng, J Yang, YA Zhu, D Chen Physical Chemistry Chemical Physics 21 (35), 19269-19280, 2019 | 31 | 2019 |
| Critical review of catalysis for ethylene oxychlorination H Ma, Y Wang, Y Qi, KR Rout, D Chen ACS Catalysis 10 (16), 9299-9319, 2020 | 26 | 2020 |
| Adsorption energy-driven carbon number-dependent olefin to paraffin ratio in cobalt-catalyzed Fischer-Tropsch synthesis Y Qi, C Ledesma, J Yang, X Duan, YA Zhu, A Holmen, D Chen Journal of catalysis 349, 110-117, 2017 | 24 | 2017 |
| Nitrogen‐Doped Carbon‐Assisted One‐pot Tandem Reaction for Vinyl Chloride Production via Ethylene Oxychlorination H Ma, G Ma, Y Qi, Y Wang, Q Chen, KR Rout, T Fuglerud, D Chen Angewandte Chemie International Edition 59 (49), 22080-22085, 2020 | 20 | 2020 |
| Preparation and evaluation of titanium silicalite-1 utilizing pretreated titanium dioxide as a titanium source Y Qi, C Ye, Z Zhuang, F Xin Microporous and mesoporous materials 142 (2-3), 661-665, 2011 | 20 | 2011 |
| Density functional theory studies on hydroxylamine mechanism of cyclohexanone ammoximation on titanium silicalite-1 catalyst CQ Chu, HT Zhao, YY Qi, F Xin Journal of molecular modeling 19, 2217-2224, 2013 | 19 | 2013 |
| Insight into size-and metal-dependent activity and the mechanism for steam methane re-forming in nanocatalysis Y Wang, L Xiao, Y Qi, J Yang, YA Zhu, D Chen The Journal of Physical Chemistry C 124 (4), 2501-2512, 2020 | 18 | 2020 |
| Investigation of C1 + C1 Coupling Reactions in Cobalt-Catalyzed Fischer-Tropsch Synthesis by a Combined DFT and Kinetic Isotope Study Y Qi, J Yang, A Holmen, D Chen Catalysts 9 (6), 551, 2019 | 18 | 2019 |
| Cluster-Size-Dependent Interaction between Ethylene and CuCl2 Clusters Supported via γ-Alumina Y Qi, E Fenes, H Ma, Y Wang, KR Rout, T Fuglerud, M Piccinini, D Chen The Journal of Physical Chemistry C 124 (19), 10430-10440, 2020 | 16 | 2020 |
| Potassium adsorption behavior on hcp cobalt as model systems for the Fischer–Tropsch synthesis: a density functional theory study Q Chen, IH Svenum, Y Qi, L Gavrilovic, D Chen, A Holmen, EA Blekkan Physical Chemistry Chemical Physics 19 (19), 12246-12254, 2017 | 16 | 2017 |
| Understanding of K and Mg co-promoter effect in ethylene oxychlorination by operando UV–vis-NIR spectroscopy H Ma, E Fenes, Y Qi, Y Wang, KR Rout, T Fuglerud, D Chen Catalysis Today 369, 227-234, 2021 | 14 | 2021 |
| Descriptor-based microkinetic modeling and catalyst screening for CO hydrogenation Y Wang, X Yang, L Xiao, Y Qi, J Yang, YA Zhu, A Holmen, W Xiao, ... ACS Catalysis 11 (23), 14545-14560, 2021 | 12 | 2021 |
| Mechanism investigation and catalyst screening of high-temperature reverse water gas shift reaction Y Qi, YA Zhu, D Chen Green Chemical Engineering 1 (2), 131-139, 2020 | 12 | 2020 |
